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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:7,10-bis(4-bromophenyl)-8-nonyl-9-octylfluoranthene
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Accession:CHEBI:48303 term browser browse the term
Definition:An organobromine compound that is fluoranthene in which the hydrogens at positions 7 and 10 are substituted by 4-bromophenyl groups, while those at positions 8 and 9 are substituted by nonyl and octyl groups, respectively.
Synonyms:related_synonym: 7,10-Bis-(4-bromo-phenyl)-8-nonyl-9-octyl-fluoranthen;   Formula=C45H50Br2;   InChI=1S/C45H50Br2/c1-3-5-7-9-11-13-15-21-38-37(20-14-12-10-8-6-4-2)42(33-24-28-35(46)29-25-33)44-39-22-16-18-32-19-17-23-40(41(32)39)45(44)43(38)34-26-30-36(47)31-27-34/h16-19,22-31H,3-15,20-21H2,1-2H3;   InChIKey=WFHSRKRLTIOEAE-UHFFFAOYSA-N;   SMILES=CCCCCCCCCc1c(CCCCCCCC)c(-c2ccc(Br)cc2)c2-c3cccc4cccc(-c2c1-c1ccc(Br)cc1)c34
 xref: Patent:WO2006114364



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Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      biological role 19808
        aetiopathogenetic role 19185
          carcinogenic agent 18499
            polycyclic arene 17030
              ortho- and peri-fused polycyclic arene 16279
                fluoranthene 756
                  7,10-bis(4-bromophenyl)-8-nonyl-9-octylfluoranthene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19105
                            organic hydride 18665
                              organic fundamental parent 18665
                                hydrocarbon 18401
                                  cyclic hydrocarbon 17223
                                    arene 17203
                                      polycyclic arene 17030
                                        ortho- and peri-fused polycyclic arene 16279
                                          fluoranthene 756
                                            7,10-bis(4-bromophenyl)-8-nonyl-9-octylfluoranthene 0
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